CID 63832

73283-14-4

Structural Information

Molecular Formula
C23H18N2O2
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H18N2O2/c1-16-9-5-8-14-20(16)25-22(15-21(26)17-10-3-2-4-11-17)24-19-13-7-6-12-18(19)23(25)27/h2-14H,15H2,1H3
InChIKey
WFOVYFPUMALQCW-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-phenacylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14412 186.5
[M+Na]+ 377.12606 195.2
[M-H]- 353.12956 194.4
[M+NH4]+ 372.17066 196.8
[M+K]+ 393.10000 188.0
[M+H-H2O]+ 337.13410 174.6
[M+HCOO]- 399.13504 205.3
[M+CH3COO]- 413.15069 196.4
[M+Na-2H]- 375.11151 190.9
[M]+ 354.13629 187.5
[M]- 354.13739 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe